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CHEBI:214624 - Paecilosetin

ChEBI IDCHEBI:214624
ChEBI NamePaecilosetin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO4
Net Charge0
Average Mass373.493
Monoisotopic Mass373.22531
SMILESC/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C(O)=C1\C(=O)NC(C(C)O)C1=O
InChIInChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27)/b6-5+,20-17+/t12-,13?,14-,15-,16-,18?,22-/m1/s1
InChIKeyMOMBVLIMWZDBMW-SQYLZNHDSA-N
Species of MetaboliteComponentSourceComments
Cordyceps farinosa (ncbitaxon:89141) - PubMed (15921439)
ChEBI Ontology
Outgoing Relation(s)
Paecilosetin (CHEBI:214624) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(3E)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione
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78440663ChemSpider